CID 138987536

2649080-00-0

Structural Information

Molecular Formula
C13H20N2O5
SMILES
CC1(CC(=NO1)C2CN(C2)C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C13H20N2O5/c1-12(2,3)19-11(18)15-6-8(7-15)9-5-13(4,10(16)17)20-14-9/h8H,5-7H2,1-4H3,(H,16,17)
InChIKey
PALXLGOTBTWPEZ-UHFFFAOYSA-N
Compound name
5-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]-4H-1,2-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.1372 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.14448 163.3
[M+Na]+ 307.12642 167.8
[M-H]- 283.12992 166.6
[M+NH4]+ 302.17102 171.7
[M+K]+ 323.10036 171.6
[M+H-H2O]+ 267.13446 152.9
[M+HCOO]- 329.13540 176.8
[M+CH3COO]- 343.15105 198.5
[M+Na-2H]- 305.11187 164.7
[M]+ 284.13665 174.1
[M]- 284.13775 174.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.